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DOE OSTI2020

Materials Data on CsTeAu by Materials Project

CsAuTe crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to four equivalent Au1+ and six equivalent Te2- atoms. All Cs–Au bond lengths are 3.83 Å. There are two shorter (4.15 Å) and four longer (4.21 Å) Cs–Te bond lengths. Au1+ is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two equivalent Te2- atoms. Both Au–Te bond lengths are 2.64 Å. Te2- is bonded in a 2-coordinate geometry to six equivalent Cs1+ and two equivalent Au1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CsTeAu by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗